UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39908697
39908697

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Popular Name: N-(3-hydroxy-2,4-dimethyl-phenyl)quinoline-5-sulfonamide N-(3-hydroxy-2,4-dimethyl-phenyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.50 3.61 -12.72 2 5 0 79 328.393 3 ↓
Mid Mid (pH 6-8) 3.50 3.61 -48.12 1 5 -1 81 327.385 3 ↓

Analogs

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Popular Name: 4-fluoro-3-(5-quinolylsulfonylamino)benzoic 4-fluoro-3-(5-quinolylsulfonylam…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.97 5.63 -111.26 0 6 -2 101 344.323 4 ↓
Mid Mid (pH 6-8) 2.97 6.07 -109.01 1 6 -1 103 345.331 4 ↓
Lo Low (pH 4.5-6) 2.97 5.51 -52.43 1 6 -1 99 345.331 4 ↓

Analogs

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Popular Name: 3-methylsulfanyl-4-(5-quinolylsulfonylamino)benzoic 3-methylsulfanyl-4-(5-quinolylsu…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.24 6.5 -111.63 0 6 -2 101 372.427 5 ↓
Mid Mid (pH 6-8) 3.24 6.49 -51.61 1 6 -1 99 373.435 5 ↓
Lo Low (pH 4.5-6) 3.24 6.94 -114.02 1 6 -1 103 373.435 5 ↓

Analogs

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Popular Name: 1-ethyl-3-[3-[(8-fluoro-5-quinolyl)sulfonylamino]phenyl]urea 1-ethyl-3-[3-[(8-fluoro-5-quinol…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 3.36 -54.8 2 7 -1 102 387.416 5 ↓
Mid Mid (pH 6-8) 2.94 3.34 -17.86 3 7 0 100 388.424 5 ↓

Analogs

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Popular Name: 2-chloro-5-[(8-fluoro-5-quinolyl)sulfonylamino]benzoic 2-chloro-5-[(8-fluoro-5-quinolyl…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 5.92 -102.83 0 6 -2 101 378.768 4 ↓
Mid Mid (pH 6-8) 3.26 5.9 -51.77 1 6 -1 99 379.776 4 ↓

Analogs

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Popular Name: N-[2-chloro-5-[(8-fluoro-5-quinolyl)sulfonylamino]phenyl]acetamide N-[2-chloro-5-[(8-fluoro-5-quino…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.90 4.51 -48.32 1 6 -1 90 392.819 4 ↓
Mid Mid (pH 6-8) 2.90 4.49 -14.88 2 6 0 88 393.827 4 ↓

Parameters Provided:

ring.id = 184333
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 184333 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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